N-(1-ethylsulfonylpiperidin-4-yl)-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-(1-ethylsulfonylpiperidin-4-yl)-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-(1-ethylsulfonyl-4-piperidyl)-3-nitro-benzamide CAS Name: 4-anilino-N-(1-ethylsulfonyl-4-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-anilino-N-(1-ethylsulfonylpiperidin-4-yl)-3-nitrobenzamide Traditional Name: 4-anilino-N-(1-esyl-4-piperidyl)-3-nitro-benzamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-2-30(28,29)23-12-10-17(11-13-23)22-20(25)15-8-9-18(19(14-15)24(26)27)21-16-6-4-3-5-7-16/h3-9,14,17,21H,2,10-13H2,1H3,(H,22,25)